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15599-52-7

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Basic Information
CAS No.: 15599-52-7
Name: broquinaldol
Article Data: 22
Molecular Structure:
Molecular Structure of 15599-52-7 (broquinaldol)
Formula: C10H7Br2NO
Molecular Weight: 316.98
Synonyms: 2-Methyl-5,7-dibromo-8-hydroxyquinoline;5,7-Dibromo-2-methyl-8-hydroxyquinoline;5,7-Dibromo-2-methyl-8-quinolinol;5,7-Dibromo-8-hydroxy-2-methylquinoline;5,7-Dibromo-8-hydroxyquinaldine;Broquinaldol;NSC 85838;5,7-Dibromo-2-methylquinolin-8-ol;2-Methyl-5,7-dibromoquinoline-8-ol;Broquinaldolum;
EINECS: 239-680-0
Density: 1.934 g/cm3
Melting Point: 126-130 °C(lit.)
Boiling Point: 367.4 °C at 760 mmHg
Flash Point: 176 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 33.12000
LogP: 3.77380
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Specification

The 8-Quinolinol,5,7-dibromo-2-methyl-, with the CAS registry number 15599-52-7, is also known as 2-Methyl-5,7-dibromoquinoline-8-ol. This chemical's molecular formula is C10H7Br2NO and molecular weight is 316.98. What's more, its systematic name is 5,7-Dibromo-2-methylquinolin-8-ol and its EINECS number is 239-680-0.

Physical properties of 8-Quinolinol,5,7-dibromo-2-methyl- are: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 30.52; (6)ACD/BCF (pH 7.4): 9.96; (7)ACD/KOC (pH 5.5): 142.35; (8)ACD/KOC (pH 7.4): 46.48; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.713; (14)Molar Refractivity: 64.27 cm3; (15)Molar Volume: 163.8 cm3; (16)Polarizability: 25.48×10-24 cm3; (17)Surface Tension: 61.5 dyne/cm; (18)Density: 1.934 g/cm3; (19)Flash Point: 176 °C; (20)Enthalpy of Vaporization: 63.8 kJ/mol; (21)Boiling Point: 367.4 °C at 760 mmHg; (22)Vapour Pressure: 6.49E-06 mmHg at 25°C.

Uses of 8-Quinolinol,5,7-dibromo-2-methyl-: it can be used to produce 2-methyl-5,7-di-piperazin-1-yl-quinolin-8-ol by heating. It will need solvent ethanol with the reaction time of 4 hours. The yield is about 64%.

8-Quinolinol,5,7-dibromo-2-methyl- can be used to produce 2-methyl-5,7-di-piperazin-1-yl-quinolin-8-ol by heating

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you must wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC2=C(C=C1)C(=CC(=C2O)Br)Br
(2)InChI: InChI=1S/C10H7Br2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3
(3)InChIKey: BNACJQWJZKPAPV-UHFFFAOYSA-N